N-cyclohexyl-2-[5,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide

C26H29NO4 — CID 1413410

IUPACN-cyclohexyl-2-[5,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide
SMILESCc1ccc(-c2oc3cc(C)cc(C)c3c(=O)c2OCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C26H29NO4/c1-16-9-11-19(12-10-16)25-26(30-15-22(28)27-20-7-5-4-6-8-20)24(29)23-18(3)13-17(2)14-21(23)31-25/h9-14,20H,4-8,15H2,1-3H3,(H,27,28)
InChIKeyBTEGFEJNQDLZLM-UHFFFAOYSA-N
MW419.52 g/mol
LogP5.21
Rot. Bonds5

About N-cyclohexyl-2-[5,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide

N-cyclohexyl-2-[5,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide (PubChem CID 1413410) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is N-cyclohexyl-2-[5,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[5,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide
PubChem CID1413410
Molecular FormulaC26H29NO4
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC NameN-cyclohexyl-2-[5,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide
SMILESCc1ccc(-c2oc3cc(C)cc(C)c3c(=O)c2OCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C26H29NO4/c1-16-9-11-19(12-10-16)25-26(30-15-22(28)27-20-7-5-4-6-8-20)24(29)23-18(3)13-17(2)14-21(23)31-25/h9-14,20H,4-8,15H2,1-3H3,(H,27,28)
InChIKeyBTEGFEJNQDLZLM-UHFFFAOYSA-N
XLogP5.21
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.52
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
CID 20999891
N-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide
CID 9218083
2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylacetamide
CID 21000537
N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 720119
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
N-cyclohexyl-2-[2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide
CID 46303054
[2-(cyclooctylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 24817967
2-(4-bromo-2,6-dimethylphenoxy)-N-cyclododecylacetamide
CID 19175356
N-cyclohexyl-2-(2,4-dimethylphenyl)acetamide
CID 56922648
N-cyclopentyl-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108794252
N-(cyclohexylcarbamoyl)-2-(2,4-dimethylphenoxy)acetamide
CID 7706804
N-cycloheptyl-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 9317092

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[5,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide?
The IUPAC name of N-cyclohexyl-2-[5,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide (CID 1413410) is N-cyclohexyl-2-[5,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide.
What is the SMILES notation for N-cyclohexyl-2-[5,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide?
The canonical SMILES for N-cyclohexyl-2-[5,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide is Cc1ccc(-c2oc3cc(C)cc(C)c3c(=O)c2OCC(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-2-[5,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide?
The InChIKey is BTEGFEJNQDLZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO4/c1-16-9-11-19(12-10-16)25-26(30-15-22(28)27-20-7-5-4-6-8-20)24(29)23-18(3)13-17(2)14-21(23)31-25/h9-14,20H,4-8,15H2,1-3H3,(H,27,28).
What are the key properties of N-cyclohexyl-2-[5,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide?
N-cyclohexyl-2-[5,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide has a molecular weight of 419.52 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[5,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide is sourced from PubChem (CID 1413410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).